UCSF

ZINC39645570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 10 Yes

Other Names:

MFCD13196839

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.89 -2.05 -39.66 3 3 1 40 143.21 0
Mid Mid (pH 6-8) -0.89 0.08 -108.44 4 3 2 41 144.218 0
Lo Low (pH 4.5-6) -0.89 -1.26 -29.94 3 3 1 37 143.21 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )